KNG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C30	C16	sing	1.51Å	0.00Å
C17	C16	doub	1.33Å	0.00Å
C17	C18	sing	1.50Å	0.00Å
C16	C15	sing	1.46Å	0.00Å
O14	C44	doub	1.21Å	0.00Å
C19	C18	sing	1.53Å	0.00Å
C19	C20	sing	1.54Å	0.00Å
C15	O10	doub	1.20Å	0.00Å
C15	N01	sing	1.34Å	0.00Å
C38	C31	sing	1.53Å	0.00Å
O15	C44	sing	1.34Å	0.00Å
C44	C43	sing	1.51Å	0.00Å
N01	C02	sing	1.40Å	0.00Å
C20	C31	sing	1.53Å	0.00Å
C20	C21	sing	1.52Å	0.00Å
C31	O12	sing	1.45Å	0.00Å
O12	C39	sing	1.34Å	0.00Å
C43	C40	sing	1.53Å	0.00Å
O01	C01	sing	1.36Å	0.00Å
O09	C21	sing	1.43Å	0.00Å
C02	C01	doub	1.38Å	0.00Å	Aromatic
C02	C03	sing	1.40Å	0.00Å	Aromatic
C21	C22	sing	1.53Å	0.00Å
C39	C40	sing	1.51Å	0.00Å
C39	O13	doub	1.21Å	0.00Å
C01	C09	sing	1.41Å	0.00Å	Aromatic
C40	C42	sing	1.53Å	0.00Å
C40	C41	sing	1.53Å	0.00Å
C32	C22	sing	1.52Å	0.00Å
C03	C04	doub	1.38Å	0.00Å	Aromatic
C22	C23	sing	1.53Å	0.00Å
O02	C08	sing	1.36Å	0.00Å
C09	C08	doub	1.41Å	0.00Å	Aromatic
C09	C10	sing	1.42Å	0.00Å	Aromatic
C04	C10	sing	1.40Å	0.00Å	Aromatic
C04	O11	sing	1.36Å	0.00Å
O19	C23	sing	1.43Å	0.00Å
C23	C24	sing	1.52Å	0.00Å
C08	C07	sing	1.38Å	0.00Å	Aromatic
C10	C05	doub	1.47Å	0.00Å	Aromatic
C24	C33	sing	1.54Å	0.00Å
C24	C25	sing	1.54Å	0.00Å
C07	C14	sing	1.51Å	0.00Å
C07	C06	doub	1.40Å	0.00Å	Aromatic
C05	C06	sing	1.40Å	0.00Å	Aromatic
C05	C11	sing	1.42Å	0.00Å
C34	C26	sing	1.53Å	0.00Å
C25	C26	sing	1.53Å	0.00Å
C25	O07	sing	1.45Å	0.00Å
C06	O03	sing	1.36Å	0.00Å
C26	C27	sing	1.52Å	0.00Å
O04	C11	doub	1.21Å	0.00Å
C11	C12	sing	1.53Å	0.00Å
O08	C35	doub	1.21Å	0.00Å
O07	C35	sing	1.34Å	0.00Å
C35	C36	sing	1.51Å	0.00Å
O03	C12	sing	1.43Å	0.00Å
C27	C28	sing	1.51Å	0.00Å
C27	O06	sing	1.43Å	0.00Å
C12	C13	sing	1.52Å	0.00Å
C12	O05	sing	1.43Å	0.00Å
C28	C29	doub	1.32Å	0.00Å
O06	C37	sing	1.43Å	0.00Å
C29	O05	sing	1.36Å	0.00Å
C37	C45	sing	1.53Å	0.00Å
C37	O16	sing	1.43Å	0.00Å
C45	C46	sing	1.51Å	0.00Å
O18	C46	sing	1.44Å	0.00Å
O18	C50	sing	1.44Å	0.00Å
O16	C48	sing	1.43Å	0.00Å
C46	C47	sing	1.54Å	0.00Å
C50	O17	sing	1.44Å	0.00Å
C48	C47	sing	1.53Å	0.00Å
C48	C49	sing	1.53Å	0.00Å
C47	O17	sing	1.45Å	0.00Å
C03	H1	sing	1.08Å	0.00Å
C13	H3	sing	1.09Å	0.00Å
C13	H4	sing	1.09Å	0.00Å
C13	H5	sing	1.09Å	0.00Å
C14	H6	sing	1.09Å	0.00Å
C14	H7	sing	1.09Å	0.00Å
C14	H8	sing	1.09Å	0.00Å
C17	H10	sing	1.08Å	0.00Å
C18	H12	sing	1.09Å	0.00Å
C18	H13	sing	1.09Å	0.00Å
C19	H14	sing	1.09Å	0.00Å
C19	H15	sing	1.09Å	0.00Å
C20	H16	sing	1.09Å	0.00Å
C21	H17	sing	1.10Å	0.00Å
C22	H18	sing	1.11Å	0.00Å
C23	H19	sing	1.10Å	0.00Å
C24	H20	sing	1.09Å	0.00Å
C25	H21	sing	1.10Å	0.00Å
C26	H22	sing	1.10Å	0.00Å
C27	H23	sing	1.09Å	0.00Å
C28	H24	sing	1.08Å	0.00Å
C29	H25	sing	1.08Å	0.00Å
C30	H26	sing	1.09Å	0.00Å
C30	H27	sing	1.09Å	0.00Å
C30	H28	sing	1.09Å	0.00Å
C31	H29	sing	1.09Å	0.00Å
C32	H30	sing	1.09Å	0.00Å
C32	H31	sing	1.09Å	0.00Å
C32	H32	sing	1.09Å	0.00Å
C33	H33	sing	1.09Å	0.00Å
C33	H34	sing	1.09Å	0.00Å
C33	H35	sing	1.09Å	0.00Å
C34	H36	sing	1.09Å	0.00Å
C34	H37	sing	1.09Å	0.00Å
C34	H38	sing	1.09Å	0.00Å
C36	H39	sing	1.09Å	0.00Å
C36	H40	sing	1.09Å	0.00Å
C36	H41	sing	1.09Å	0.00Å
C37	H42	sing	1.09Å	0.00Å
C38	H43	sing	1.09Å	0.00Å
C38	H44	sing	1.09Å	0.00Å
C38	H45	sing	1.09Å	0.00Å
C41	H46	sing	1.09Å	0.00Å
C41	H47	sing	1.09Å	0.00Å
C41	H48	sing	1.09Å	0.00Å
C42	H49	sing	1.09Å	0.00Å
C42	H50	sing	1.09Å	0.00Å
C42	H51	sing	1.09Å	0.00Å
C43	H52	sing	1.09Å	0.00Å
C43	H53	sing	1.09Å	0.00Å
C45	H54	sing	1.09Å	0.00Å
C45	H55	sing	1.09Å	0.00Å
C46	H56	sing	1.09Å	0.00Å
C47	H57	sing	1.09Å	0.00Å
C48	H58	sing	1.09Å	0.00Å
C49	H59	sing	1.09Å	0.00Å
C49	H60	sing	1.09Å	0.00Å
C49	H61	sing	1.09Å	0.00Å
C50	H62	sing	1.09Å	0.00Å
C50	H63	sing	1.09Å	0.00Å
N01	H64	sing	0.98Å	0.00Å
O01	H65	sing	0.97Å	0.00Å
O02	H66	sing	0.97Å	0.00Å
O09	H68	sing	0.97Å	0.00Å
O11	H69	sing	0.97Å	0.00Å
O15	H70	sing	0.97Å	0.00Å
O19	H71	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C30	C16	C17	90.0°	118.7°
C30	C16	C15	90.0°	119.5°
C16	C30	H26	90.0°	109.4°
C16	C30	H27	90.0°	109.5°
C16	C30	H28	90.0°	109.5°
C16	C17	C18	90.0°	120.9°
C17	C16	C15	90.0°	121.7°
C16	C17	H10	90.0°	119.2°
C17	C18	C19	90.0°	110.8°
C18	C17	H10	90.0°	119.9°
C17	C18	H12	90.0°	109.1°
C17	C18	H13	90.0°	109.9°
C16	C15	O10	90.0°	115.2°
C16	C15	N01	90.0°	125.6°
O14	C44	O15	90.0°	120.0°
O14	C44	C43	90.0°	120.0°
C18	C19	C20	90.0°	109.9°
C19	C18	H12	90.0°	109.3°
C19	C18	H13	90.0°	108.6°
C18	C19	H14	90.0°	109.4°
C18	C19	H15	90.0°	109.7°
C19	C20	C31	90.0°	108.4°
C19	C20	C21	90.0°	109.6°
C20	C19	H14	90.0°	109.2°
C20	C19	H15	90.0°	109.2°
C19	C20	H16	90.0°	108.2°
O10	C15	N01	90.0°	119.1°
C15	N01	C02	90.0°	118.0°
C15	N01	H64	90.0°	120.9°
C38	C31	C20	90.0°	109.5°
C38	C31	O12	90.0°	109.5°
C38	C31	H29	90.0°	109.5°
C31	C38	H43	90.0°	109.4°
C31	C38	H44	90.0°	109.5°
C31	C38	H45	90.0°	109.5°
O15	C44	C43	90.0°	120.0°
C44	O15	H70	90.0°	117.0°
C44	C43	C40	90.0°	109.5°
C44	C43	H52	90.0°	109.5°
C44	C43	H53	90.0°	109.5°
N01	C02	C01	90.0°	122.1°
N01	C02	C03	90.0°	119.0°
C02	N01	H64	90.0°	121.1°
C31	C20	C21	90.0°	109.7°
C20	C31	O12	90.0°	109.5°
C31	C20	H16	90.0°	109.5°
C20	C31	H29	90.0°	109.5°
C20	C21	O09	90.0°	109.4°
C20	C21	C22	90.0°	113.0°
C21	C20	H16	90.0°	111.3°
C20	C21	H17	90.0°	108.6°
C31	O12	C39	90.0°	117.1°
O12	C31	H29	90.0°	109.4°
O12	C39	C40	90.0°	120.1°
O12	C39	O13	90.0°	119.9°
C43	C40	C39	90.0°	109.5°
C43	C40	C42	90.0°	109.5°
C43	C40	C41	90.0°	109.5°
C40	C43	H52	90.0°	109.5°
C40	C43	H53	90.0°	109.5°
O01	C01	C02	90.0°	118.7°
O01	C01	C09	90.0°	121.0°
C01	O01	H65	90.0°	114.0°
O09	C21	C22	90.0°	109.7°
O09	C21	H17	90.0°	107.8°
C21	O09	H68	90.0°	114.0°
C01	C02	C03	90.0°	118.9°
C02	C01	C09	90.0°	120.3°
C02	C03	C04	90.0°	121.3°
C02	C03	H1	90.0°	121.6°
C21	C22	C32	90.0°	111.3°
C21	C22	C23	90.0°	109.9°
C22	C21	H17	90.0°	108.1°
C21	C22	H18	90.0°	107.9°
C40	C39	O13	90.0°	120.0°
C39	C40	C42	90.0°	109.5°
C39	C40	C41	90.0°	109.5°
C01	C09	C08	90.0°	121.8°
C01	C09	C10	90.0°	120.2°
C42	C40	C41	90.0°	109.4°
C40	C42	H49	90.0°	109.5°
C40	C42	H50	90.0°	109.5°
C40	C42	H51	90.0°	109.5°
C40	C41	H46	90.0°	109.5°
C40	C41	H47	90.0°	109.5°
C40	C41	H48	90.0°	109.5°
C32	C22	C23	90.0°	113.2°
C32	C22	H18	90.0°	107.4°
C22	C32	H30	90.0°	109.5°
C22	C32	H31	90.0°	109.4°
C22	C32	H32	90.0°	109.5°
C03	C04	C10	90.0°	120.8°
C03	C04	O11	90.0°	118.5°
C04	C03	H1	90.0°	117.1°
C22	C23	O19	90.0°	108.5°
C22	C23	C24	90.0°	114.7°
C23	C22	H18	90.0°	106.9°
C22	C23	H19	90.0°	108.0°
O02	C08	C09	90.0°	120.5°
O02	C08	C07	90.0°	118.6°
C08	O02	H66	90.0°	114.0°
C08	C09	C10	90.0°	117.9°
C09	C08	C07	90.0°	120.9°
C09	C10	C04	90.0°	117.8°
C09	C10	C05	90.0°	119.7°
C10	C04	O11	90.0°	120.7°
C04	C10	C05	90.0°	122.5°
C04	O11	H69	90.0°	114.0°
O19	C23	C24	90.0°	109.3°
O19	C23	H19	90.0°	107.2°
C23	O19	H71	90.0°	114.0°
C23	C24	C33	90.0°	110.6°
C23	C24	C25	90.0°	110.2°
C24	C23	H19	90.0°	108.8°
C23	C24	H20	90.0°	111.5°
C08	C07	C14	90.0°	118.9°
C08	C07	C06	90.0°	122.5°
C10	C05	C06	90.0°	118.7°
C10	C05	C11	90.0°	133.1°
C33	C24	C25	90.0°	108.2°
C33	C24	H20	90.0°	110.0°
C24	C33	H33	90.0°	109.4°
C24	C33	H34	90.0°	109.4°
C24	C33	H35	90.0°	109.5°
C24	C25	C26	90.0°	108.8°
C24	C25	O07	90.0°	110.0°
C25	C24	H20	90.0°	106.1°
C24	C25	H21	90.0°	108.7°
C14	C07	C06	90.0°	118.6°
C07	C14	H6	90.0°	109.4°
C07	C14	H7	90.0°	109.5°
C07	C14	H8	90.0°	109.5°
C07	C06	C05	90.0°	119.2°
C07	C06	O03	90.0°	129.4°
C06	C05	C11	90.0°	108.1°
C05	C06	O03	90.0°	111.3°
C05	C11	O04	90.0°	128.0°
C05	C11	C12	90.0°	106.0°
C34	C26	C25	90.0°	109.2°
C34	C26	C27	90.0°	109.5°
C34	C26	H22	90.0°	108.3°
C26	C34	H36	90.0°	109.5°
C26	C34	H37	90.0°	109.5°
C26	C34	H38	90.0°	109.4°
C26	C25	O07	90.0°	111.3°
C25	C26	C27	90.0°	111.9°
C26	C25	H21	90.0°	108.7°
C25	C26	H22	90.0°	108.9°
C25	O07	C35	90.0°	117.0°
O07	C25	H21	90.0°	109.3°
C06	O03	C12	90.0°	109.5°
C26	C27	C28	90.0°	110.4°
C26	C27	O06	90.0°	109.5°
C27	C26	H22	90.0°	109.0°
C26	C27	H23	90.0°	111.0°
O04	C11	C12	90.0°	126.0°
C11	C12	O03	90.0°	104.3°
C11	C12	C13	90.0°	110.4°
C11	C12	O05	90.0°	109.6°
O08	C35	O07	90.0°	120.0°
O08	C35	C36	90.0°	120.0°
O07	C35	C36	90.0°	120.0°
C35	C36	H39	90.0°	109.4°
C35	C36	H40	90.0°	109.5°
C35	C36	H41	90.0°	109.5°
O03	C12	C13	90.0°	110.5°
O03	C12	O05	90.0°	110.8°
C28	C27	O06	90.0°	109.0°
C27	C28	C29	90.0°	119.6°
C28	C27	H23	90.0°	108.2°
C27	C28	H24	90.0°	120.2°
C27	O06	C37	90.0°	114.0°
O06	C27	H23	90.0°	108.7°
C13	C12	O05	90.0°	111.0°
C12	C13	H3	90.0°	109.5°
C12	C13	H4	90.0°	109.5°
C12	C13	H5	90.0°	109.5°
C12	O05	C29	90.0°	117.8°
C28	C29	O05	90.0°	121.1°
C29	C28	H24	90.0°	120.2°
C28	C29	H25	90.0°	118.7°
O06	C37	C45	90.0°	109.8°
O06	C37	O16	90.0°	109.7°
O06	C37	H42	90.0°	109.8°
O05	C29	H25	90.0°	120.2°
C45	C37	O16	90.0°	108.1°
C37	C45	C46	90.0°	111.0°
C45	C37	H42	90.0°	109.7°
C37	C45	H54	90.0°	109.2°
C37	C45	H55	90.0°	109.1°
C37	O16	C48	90.0°	113.0°
O16	C37	H42	90.0°	109.7°
C45	C46	O18	90.0°	112.4°
C45	C46	C47	90.0°	112.6°
C46	C45	H54	90.0°	109.2°
C46	C45	H55	90.0°	109.2°
C45	C46	H56	90.0°	109.8°
C46	O18	C50	90.0°	104.0°
O18	C46	C47	90.0°	102.3°
O18	C46	H56	90.0°	109.8°
O18	C50	O17	90.0°	108.8°
O18	C50	H62	90.0°	109.7°
O18	C50	H63	90.0°	109.5°
O16	C48	C47	90.0°	110.9°
O16	C48	C49	90.0°	109.2°
O16	C48	H58	90.0°	109.2°
C46	C47	C48	90.0°	110.4°
C46	C47	O17	90.0°	101.8°
C47	C46	H56	90.0°	109.8°
C46	C47	H57	90.0°	112.3°
C50	O17	C47	90.0°	107.0°
O17	C50	H62	90.0°	109.7°
O17	C50	H63	90.0°	109.6°
C47	C48	C49	90.0°	109.2°
C48	C47	O17	90.0°	106.6°
C48	C47	H57	90.0°	112.7°
C47	C48	H58	90.0°	109.2°
C49	C48	H58	90.0°	109.2°
C48	C49	H59	90.0°	109.5°
C48	C49	H60	90.0°	109.5°
C48	C49	H61	90.0°	109.5°
O17	C47	H57	90.0°	112.5°
H3	C13	H4	90.0°	109.5°
H3	C13	H5	90.0°	109.5°
H4	C13	H5	90.0°	109.5°
H6	C14	H7	90.0°	109.5°
H6	C14	H8	90.0°	109.5°
H7	C14	H8	90.0°	109.5°
H12	C18	H13	90.0°	109.2°
H14	C19	H15	90.0°	109.3°
H26	C30	H27	90.0°	109.5°
H26	C30	H28	90.0°	109.5°
H27	C30	H28	90.0°	109.5°
H30	C32	H31	90.0°	109.5°
H30	C32	H32	90.0°	109.5°
H31	C32	H32	90.0°	109.4°
H33	C33	H34	90.0°	109.5°
H33	C33	H35	90.0°	109.5°
H34	C33	H35	90.0°	109.5°
H36	C34	H37	90.0°	109.5°
H36	C34	H38	90.0°	109.5°
H37	C34	H38	90.0°	109.5°
H39	C36	H40	90.0°	109.5°
H39	C36	H41	90.0°	109.4°
H40	C36	H41	90.0°	109.5°
H43	C38	H44	90.0°	109.5°
H43	C38	H45	90.0°	109.5°
H44	C38	H45	90.0°	109.5°
H46	C41	H47	90.0°	109.5°
H46	C41	H48	90.0°	109.4°
H47	C41	H48	90.0°	109.4°
H49	C42	H50	90.0°	109.5°
H49	C42	H51	90.0°	109.5°
H50	C42	H51	90.0°	109.5°
H52	C43	H53	90.0°	109.5°
H54	C45	H55	90.0°	109.1°
H59	C49	H60	90.0°	109.4°
H59	C49	H61	90.0°	109.4°
H60	C49	H61	90.0°	109.5°
H62	C50	H63	90.0°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C30	C16	C17	C15	90.0°	180.0°
C30	C16	C17	C18	90.0°	177.8°
C30	C16	C15	O10	90.0°	137.7°
C30	C16	C15	N01	90.0°	45.3°
C30	C16	C17	H10	90.0°	1.9°
C16	C30	H26	H27	90.0°	120.0°
C16	C30	H26	H28	90.0°	120.0°
C16	C30	H27	H28	90.0°	120.0°
C16	C17	C18	H10	90.0°	179.7°
C16	C17	C18	C19	90.0°	161.7°
C17	C16	C15	O10	90.0°	42.3°
C17	C16	C15	N01	90.0°	134.7°
C16	C17	C18	H12	90.0°	78.0°
C16	C17	C18	H13	90.0°	41.7°
C17	C16	C30	H26	90.0°	180.0°
C17	C16	C30	H27	90.0°	60.0°
C17	C16	C30	H28	90.0°	59.9°
C18	C17	C16	C15	90.0°	2.2°
C17	C18	C19	H12	90.0°	120.2°
C17	C18	C19	H13	90.0°	120.8°
C17	C18	C19	C20	90.0°	111.0°
C17	C18	H12	H13	90.0°	120.1°
C17	C18	C19	H14	90.0°	129.1°
C17	C18	C19	H15	90.0°	9.1°
C16	C15	O10	N01	90.0°	177.2°
C16	C15	N01	C02	90.0°	130.8°
C15	C16	C17	H10	90.0°	178.0°
C15	C16	C30	H26	90.0°	0.0°
C15	C16	C30	H27	90.0°	120.0°
C15	C16	C30	H28	90.0°	120.0°
C16	C15	N01	H64	90.0°	50.8°
O14	C44	O15	C43	90.0°	180.0°
O14	C44	C43	C40	90.0°	0.0°
O14	C44	C43	H52	90.0°	120.0°
O14	C44	C43	H53	90.0°	120.0°
O14	C44	O15	H70	90.0°	0.0°
C18	C19	C20	H14	90.0°	120.1°
C18	C19	C20	H15	90.0°	120.4°
C18	C19	C20	C31	90.0°	152.0°
C18	C19	C20	C21	90.0°	88.3°
C19	C18	C17	H10	90.0°	18.5°
C19	C18	H12	H13	90.0°	118.6°
C18	C19	H14	H15	90.0°	120.2°
C18	C19	C20	H16	90.0°	33.3°
C19	C20	C31	C38	90.0°	65.0°
C19	C20	C31	C21	90.0°	119.7°
C19	C20	C31	H16	90.0°	117.8°
C19	C20	C21	H16	90.0°	119.6°
C19	C20	C31	O12	90.0°	55.0°
C19	C20	C21	O09	90.0°	48.9°
C19	C20	C21	C22	90.0°	171.4°
C20	C19	C18	H12	90.0°	9.2°
C20	C19	C18	H13	90.0°	128.2°
C20	C19	H14	H15	90.0°	119.4°
C19	C20	C21	H17	90.0°	68.6°
C19	C20	C31	H29	90.0°	175.0°
O10	C15	N01	C02	90.0°	46.1°
O10	C15	N01	H64	90.0°	132.3°
C15	N01	C02	H64	90.0°	178.4°
C15	N01	C02	C01	90.0°	149.4°
C15	N01	C02	C03	90.0°	29.5°
C38	C31	C20	O12	90.0°	120.0°
C38	C31	C20	H29	90.0°	120.0°
C38	C31	C20	C21	90.0°	175.3°
C38	C31	O12	H29	90.0°	120.0°
C38	C31	O12	C39	90.0°	90.0°
C38	C31	C20	H16	90.0°	52.8°
C31	C38	H43	H44	90.0°	120.0°
C31	C38	H43	H45	90.0°	120.0°
C31	C38	H44	H45	90.0°	120.1°
O15	C44	C43	C40	90.0°	180.0°
O15	C44	C43	H52	90.0°	60.0°
O15	C44	C43	H53	90.0°	60.0°
C44	C43	C40	H52	90.0°	120.0°
C44	C43	C40	H53	90.0°	120.0°
C44	C43	C40	C39	90.0°	180.0°
C44	C43	C40	C42	90.0°	60.0°
C44	C43	C40	C41	90.0°	60.0°
C44	C43	H52	H53	90.0°	120.0°
C43	C44	O15	H70	90.0°	180.0°
N01	C02	C01	O01	90.0°	5.3°
N01	C02	C01	C03	90.0°	178.9°
N01	C02	C01	C09	90.0°	174.9°
N01	C02	C03	C04	90.0°	174.8°
N01	C02	C03	H1	90.0°	7.4°
C31	C20	C21	H16	90.0°	121.4°
C20	C31	O12	H29	90.0°	120.0°
C20	C31	O12	C39	90.0°	150.0°
C31	C20	C21	O09	90.0°	167.8°
C31	C20	C21	C22	90.0°	69.7°
C31	C20	C19	H14	90.0°	88.0°
C31	C20	C19	H15	90.0°	31.5°
C31	C20	C21	H17	90.0°	50.3°
C20	C31	C38	H43	90.0°	60.0°
C20	C31	C38	H44	90.0°	180.0°
C20	C31	C38	H45	90.0°	60.0°
C21	C20	C31	O12	90.0°	64.7°
C20	C21	O09	C22	90.0°	124.5°
C20	C21	O09	H17	90.0°	118.0°
C20	C21	C22	H17	90.0°	120.3°
C20	C21	C22	C32	90.0°	50.5°
C20	C21	C22	C23	90.0°	176.7°
C21	C20	C19	H14	90.0°	31.8°
C21	C20	C19	H15	90.0°	151.3°
C20	C21	C22	H18	90.0°	67.1°
C21	C20	C31	H29	90.0°	55.3°
C20	C21	O09	H68	90.0°	180.0°
C31	O12	C39	C40	90.0°	180.0°
C31	O12	C39	O13	90.0°	0.0°
O12	C31	C20	H16	90.0°	172.8°
O12	C31	C38	H43	90.0°	180.0°
O12	C31	C38	H44	90.0°	60.0°
O12	C31	C38	H45	90.0°	60.0°
O12	C39	C40	C43	90.0°	180.0°
O12	C39	C40	O13	90.0°	180.0°
O12	C39	C40	C42	90.0°	60.0°
O12	C39	C40	C41	90.0°	60.0°
C39	O12	C31	H29	90.0°	30.0°
C43	C40	C39	C42	90.0°	120.0°
C43	C40	C39	C41	90.0°	120.0°
C43	C40	C39	O13	90.0°	0.0°
C43	C40	C42	C41	90.0°	120.0°
C43	C40	C41	H46	90.0°	180.0°
C43	C40	C41	H47	90.0°	60.0°
C43	C40	C41	H48	90.0°	60.0°
C43	C40	C42	H49	90.0°	60.0°
C43	C40	C42	H50	90.0°	60.0°
C43	C40	C42	H51	90.0°	180.0°
C40	C43	H52	H53	90.0°	120.0°
O01	C01	C02	C09	90.0°	179.8°
O01	C01	C02	C03	90.0°	175.8°
O01	C01	C09	C08	90.0°	2.6°
O01	C01	C09	C10	90.0°	177.5°
O09	C21	C22	H17	90.0°	117.4°
O09	C21	C22	C32	90.0°	71.9°
O09	C21	C22	C23	90.0°	54.4°
O09	C21	C20	H16	90.0°	70.8°
O09	C21	C22	H18	90.0°	170.6°
C01	C02	C03	C04	90.0°	4.2°
C02	C01	C09	C08	90.0°	177.2°
C02	C01	C09	C10	90.0°	2.7°
C01	C02	C03	H1	90.0°	173.6°
C01	C02	N01	H64	90.0°	32.2°
C02	C01	O01	H65	90.0°	90.3°
C03	C02	C01	C09	90.0°	4.0°
C02	C03	C04	H1	90.0°	177.9°
C02	C03	C04	C10	90.0°	2.5°
C02	C03	C04	O11	90.0°	176.4°
C03	C02	N01	H64	90.0°	148.9°
C21	C22	C32	C23	90.0°	124.3°
C21	C22	C32	H18	90.0°	117.9°
C21	C22	C23	H18	90.0°	116.8°
C21	C22	C23	O19	90.0°	122.6°
C21	C22	C23	C24	90.0°	114.8°
C22	C21	C20	H16	90.0°	51.7°
C21	C22	C23	H19	90.0°	6.7°
C21	C22	C32	H30	90.0°	60.0°
C21	C22	C32	H31	90.0°	180.0°
C21	C22	C32	H32	90.0°	60.1°
C22	C21	O09	H68	90.0°	55.6°
C39	C40	C42	C41	90.0°	120.0°
C39	C40	C41	H46	90.0°	59.9°
C39	C40	C41	H47	90.0°	180.0°
C39	C40	C41	H48	90.0°	60.0°
C39	C40	C42	H49	90.0°	60.0°
C39	C40	C42	H50	90.0°	180.0°
C39	C40	C42	H51	90.0°	59.9°
C39	C40	C43	H52	90.0°	60.0°
C39	C40	C43	H53	90.0°	60.0°
O13	C39	C40	C42	90.0°	120.0°
O13	C39	C40	C41	90.0°	120.0°
C01	C09	C08	O02	90.0°	7.5°
C01	C09	C08	C10	90.0°	179.9°
C01	C09	C10	C04	90.0°	9.2°
C01	C09	C08	C07	90.0°	172.8°
C01	C09	C10	C05	90.0°	168.7°
C09	C01	O01	H65	90.0°	90.0°
C42	C40	C41	H46	90.0°	60.0°
C42	C40	C41	H47	90.0°	60.0°
C42	C40	C41	H48	90.0°	180.0°
C40	C42	H49	H50	90.0°	120.0°
C40	C42	H49	H51	90.0°	120.0°
C40	C42	H50	H51	90.0°	120.0°
C42	C40	C43	H52	90.0°	60.0°
C42	C40	C43	H53	90.0°	180.0°
C40	C41	H46	H47	90.0°	120.0°
C40	C41	H46	H48	90.0°	120.0°
C40	C41	H47	H48	90.0°	120.0°
C41	C40	C42	H49	90.0°	180.0°
C41	C40	C42	H50	90.0°	60.0°
C41	C40	C42	H51	90.0°	60.0°
C41	C40	C43	H52	90.0°	180.0°
C41	C40	C43	H53	90.0°	60.0°
C32	C22	C23	H18	90.0°	118.1°
C32	C22	C23	O19	90.0°	112.3°
C32	C22	C23	C24	90.0°	10.3°
C32	C22	C21	H17	90.0°	170.8°
C32	C22	C23	H19	90.0°	131.8°
C22	C32	H30	H31	90.0°	120.0°
C22	C32	H30	H32	90.0°	120.0°
C22	C32	H31	H32	90.0°	119.9°
C03	C04	C10	C09	90.0°	9.1°
C03	C04	C10	O11	90.0°	178.9°
C03	C04	C10	C05	90.0°	168.8°
C03	C04	O11	H69	90.0°	90.0°
C22	C23	O19	C24	90.0°	125.7°
C22	C23	O19	H19	90.0°	116.4°
C22	C23	C24	H19	90.0°	121.1°
C22	C23	C24	C33	90.0°	75.9°
C22	C23	C24	C25	90.0°	164.5°
C23	C22	C21	H17	90.0°	63.0°
C22	C23	C24	H20	90.0°	46.9°
C23	C22	C32	H30	90.0°	64.3°
C23	C22	C32	H31	90.0°	55.7°
C23	C22	C32	H32	90.0°	175.6°
C22	C23	O19	H71	90.0°	60.0°
O02	C08	C09	C07	90.0°	179.7°
O02	C08	C09	C10	90.0°	172.4°
O02	C08	C07	C14	90.0°	0.9°
O02	C08	C07	C06	90.0°	180.0°
C08	C09	C10	C04	90.0°	170.7°
C08	C09	C10	C05	90.0°	11.3°
C09	C08	C07	C14	90.0°	179.4°
C09	C08	C07	C06	90.0°	0.2°
C09	C08	O02	H66	90.0°	90.3°
C09	C10	C04	C05	90.0°	177.9°
C09	C10	C04	O11	90.0°	169.8°
C10	C09	C08	C07	90.0°	7.3°
C09	C10	C05	C06	90.0°	8.1°
C09	C10	C05	C11	90.0°	171.2°
C04	C10	C05	C06	90.0°	174.0°
C04	C10	C05	C11	90.0°	6.7°
C10	C04	C03	H1	90.0°	179.6°
C10	C04	O11	H69	90.0°	91.1°
O11	C04	C10	C05	90.0°	12.3°
O11	C04	C03	H1	90.0°	1.5°
O19	C23	C24	H19	90.0°	116.8°
O19	C23	C24	C33	90.0°	162.0°
O19	C23	C24	C25	90.0°	42.4°
O19	C23	C22	H18	90.0°	5.8°
O19	C23	C24	H20	90.0°	75.2°
C23	C24	C33	C25	90.0°	120.8°
C23	C24	C33	H20	90.0°	123.7°
C23	C24	C25	H20	90.0°	120.9°
C23	C24	C25	C26	90.0°	172.5°
C23	C24	C25	O07	90.0°	65.3°
C24	C23	C22	H18	90.0°	128.3°
C23	C24	C25	H21	90.0°	54.4°
C23	C24	C33	H33	90.0°	60.0°
C23	C24	C33	H34	90.0°	180.0°
C23	C24	C33	H35	90.0°	60.0°
C24	C23	O19	H71	90.0°	174.2°
C08	C07	C14	C06	90.0°	179.2°
C08	C07	C06	C05	90.0°	3.6°
C08	C07	C06	O03	90.0°	174.9°
C08	C07	C14	H6	90.0°	89.2°
C08	C07	C14	H7	90.0°	30.8°
C08	C07	C14	H8	90.0°	150.8°
C07	C08	O02	H66	90.0°	90.0°
C10	C05	C06	C07	90.0°	0.6°
C10	C05	C06	C11	90.0°	179.5°
C10	C05	C06	O03	90.0°	179.3°
C10	C05	C11	O04	90.0°	5.9°
C10	C05	C11	C12	90.0°	174.2°
C33	C24	C25	H20	90.0°	118.0°
C33	C24	C25	C26	90.0°	66.4°
C33	C24	C25	O07	90.0°	55.8°
C33	C24	C23	H19	90.0°	45.2°
C33	C24	C25	H21	90.0°	175.4°
C24	C33	H33	H34	90.0°	119.9°
C24	C33	H33	H35	90.0°	120.0°
C24	C33	H34	H35	90.0°	120.0°
C24	C25	C26	C34	90.0°	138.2°
C24	C25	C26	O07	90.0°	121.4°
C24	C25	C26	H21	90.0°	118.2°
C24	C25	O07	H21	90.0°	119.3°
C24	C25	C26	C27	90.0°	100.4°
C24	C25	O07	C35	90.0°	150.0°
C25	C24	C23	H19	90.0°	74.4°
C24	C25	C26	H22	90.0°	20.2°
C25	C24	C33	H33	90.0°	60.8°
C25	C24	C33	H34	90.0°	59.2°
C25	C24	C33	H35	90.0°	179.3°
C14	C07	C06	C05	90.0°	177.2°
C14	C07	C06	O03	90.0°	4.3°
C07	C14	H6	H7	90.0°	120.0°
C07	C14	H6	H8	90.0°	120.0°
C07	C14	H7	H8	90.0°	120.0°
C07	C06	C05	O03	90.0°	178.7°
C07	C06	C05	C11	90.0°	178.9°
C07	C06	O03	C12	90.0°	173.1°
C06	C07	C14	H6	90.0°	90.0°
C06	C07	C14	H7	90.0°	150.0°
C06	C07	C14	H8	90.0°	30.0°
C06	C05	C11	O04	90.0°	174.7°
C06	C05	C11	C12	90.0°	5.2°
C05	C06	O03	C12	90.0°	5.4°
C11	C05	C06	O03	90.0°	0.1°
C05	C11	O04	C12	90.0°	179.9°
C05	C11	C12	O03	90.0°	8.1°
C05	C11	C12	C13	90.0°	126.8°
C05	C11	C12	O05	90.0°	110.5°
C34	C26	C25	C27	90.0°	121.4°
C34	C26	C25	H22	90.0°	118.0°
C34	C26	C25	O07	90.0°	100.3°
C34	C26	C27	H22	90.0°	118.3°
C34	C26	C27	C28	90.0°	109.9°
C34	C26	C27	O06	90.0°	10.0°
C34	C26	C25	H21	90.0°	20.0°
C34	C26	C27	H23	90.0°	130.0°
C26	C34	H36	H37	90.0°	120.0°
C26	C34	H36	H38	90.0°	120.0°
C26	C34	H37	H38	90.0°	119.9°
C26	C25	O07	H21	90.0°	120.0°
C25	C26	C27	H22	90.0°	120.5°
C26	C25	O07	C35	90.0°	89.3°
C25	C26	C27	C28	90.0°	128.9°
C25	C26	C27	O06	90.0°	111.2°
C26	C25	C24	H20	90.0°	51.6°
C25	C26	C27	H23	90.0°	8.8°
C25	C26	C34	H36	90.0°	62.1°
C25	C26	C34	H37	90.0°	177.9°
C25	C26	C34	H38	90.0°	57.9°
O07	C25	C26	C27	90.0°	21.0°
C25	O07	C35	O08	90.0°	0.0°
C25	O07	C35	C36	90.0°	180.0°
O07	C25	C24	H20	90.0°	173.8°
O07	C25	C26	H22	90.0°	141.6°
C06	O03	C12	C11	90.0°	8.2°
C06	O03	C12	C13	90.0°	126.9°
C06	O03	C12	O05	90.0°	109.6°
C26	C27	C28	O06	90.0°	120.3°
C26	C27	C28	H23	90.0°	121.7°
C26	C27	O06	H23	90.0°	121.4°
C26	C27	C28	C29	90.0°	151.4°
C26	C27	O06	C37	90.0°	145.4°
C27	C26	C25	H21	90.0°	141.4°
C26	C27	C28	H24	90.0°	28.6°
C27	C26	C34	H36	90.0°	175.1°
C27	C26	C34	H37	90.0°	55.0°
C27	C26	C34	H38	90.0°	64.9°
O04	C11	C12	O03	90.0°	171.8°
O04	C11	C12	C13	90.0°	53.1°
O04	C11	C12	O05	90.0°	69.5°
C11	C12	O03	C13	90.0°	118.7°
C11	C12	O03	O05	90.0°	117.9°
C11	C12	C13	O05	90.0°	121.8°
C11	C12	O05	C29	90.0°	49.7°
C11	C12	C13	H3	90.0°	55.9°
C11	C12	C13	H4	90.0°	175.9°
C11	C12	C13	H5	90.0°	64.1°
O08	C35	O07	C36	90.0°	180.0°
O08	C35	C36	H39	90.0°	90.0°
O08	C35	C36	H40	90.0°	30.0°
O08	C35	C36	H41	90.0°	150.0°
C35	O07	C25	H21	90.0°	30.7°
O07	C35	C36	H39	90.0°	90.0°
O07	C35	C36	H40	90.0°	150.0°
O07	C35	C36	H41	90.0°	29.9°
C35	C36	H39	H40	90.0°	120.1°
C35	C36	H39	H41	90.0°	120.0°
C35	C36	H40	H41	90.0°	120.0°
O03	C12	C13	O05	90.0°	123.3°
O03	C12	O05	C29	90.0°	164.3°
O03	C12	C13	H3	90.0°	170.8°
O03	C12	C13	H4	90.0°	69.2°
O03	C12	C13	H5	90.0°	50.8°
C28	C27	O06	H23	90.0°	117.8°
C27	C28	C29	H24	90.0°	180.0°
C28	C27	O06	C37	90.0°	24.6°
C27	C28	C29	O05	90.0°	179.2°
C28	C27	C26	H22	90.0°	8.3°
C27	C28	C29	H25	90.0°	1.2°
O06	C27	C28	C29	90.0°	88.4°
C27	O06	C37	C45	90.0°	165.4°
C27	O06	C37	O16	90.0°	75.8°
O06	C27	C26	H22	90.0°	128.3°
O06	C27	C28	H24	90.0°	91.6°
C27	O06	C37	H42	90.0°	44.8°
C13	C12	O05	C29	90.0°	72.5°
C12	C13	H3	H4	90.0°	120.0°
C12	C13	H3	H5	90.0°	120.0°
C12	C13	H4	H5	90.0°	120.0°
C12	O05	C29	C28	90.0°	165.9°
O05	C12	C13	H3	90.0°	65.9°
O05	C12	C13	H4	90.0°	54.1°
O05	C12	C13	H5	90.0°	174.1°
C12	O05	C29	H25	90.0°	14.5°
C28	C29	O05	H25	90.0°	179.6°
C29	C28	C27	H23	90.0°	29.7°
O06	C37	C45	O16	90.0°	119.7°
O06	C37	C45	H42	90.0°	120.7°
O06	C37	O16	H42	90.0°	120.7°
O06	C37	C45	C46	90.0°	176.8°
O06	C37	O16	C48	90.0°	175.2°
C37	O06	C27	H23	90.0°	93.2°
O06	C37	C45	H54	90.0°	62.7°
O06	C37	C45	H55	90.0°	56.5°
O05	C29	C28	H24	90.0°	0.8°
C45	C37	O16	H42	90.0°	119.6°
C37	C45	C46	H54	90.0°	120.4°
C37	C45	C46	H55	90.0°	120.3°
C37	C45	C46	O18	90.0°	65.0°
C45	C37	O16	C48	90.0°	65.0°
C37	C45	C46	C47	90.0°	49.9°
C37	C45	H54	H55	90.0°	119.2°
C37	C45	C46	H56	90.0°	172.5°
O16	C37	C45	C46	90.0°	57.1°
C37	O16	C48	C47	90.0°	63.2°
C37	O16	C48	C49	90.0°	176.5°
O16	C37	C45	H54	90.0°	177.6°
O16	C37	C45	H55	90.0°	63.2°
C37	O16	C48	H58	90.0°	57.2°
C45	C46	O18	C47	90.0°	121.0°
C45	C46	O18	H56	90.0°	122.5°
C45	C46	O18	C50	90.0°	158.8°
C45	C46	C47	H56	90.0°	122.6°
C45	C46	C47	C48	90.0°	46.5°
C45	C46	C47	O17	90.0°	159.3°
C46	C45	C37	H42	90.0°	62.5°
C46	C45	H54	H55	90.0°	119.3°
C45	C46	C47	H57	90.0°	80.2°
O18	C46	C47	H56	90.0°	116.5°
C46	O18	C50	O17	90.0°	23.8°
O18	C46	C47	C48	90.0°	74.4°
O18	C46	C47	O17	90.0°	38.5°
O18	C46	C45	H54	90.0°	55.5°
O18	C46	C45	H55	90.0°	174.7°
O18	C46	C47	H57	90.0°	159.0°
C46	O18	C50	H62	90.0°	96.1°
C46	O18	C50	H63	90.0°	143.5°
C50	O18	C46	C47	90.0°	37.8°
O18	C50	O17	H62	90.0°	119.9°
O18	C50	O17	H63	90.0°	119.7°
O18	C50	O17	C47	90.0°	1.5°
C50	O18	C46	H56	90.0°	78.7°
O18	C50	H62	H63	90.0°	120.2°
O16	C48	C47	C46	90.0°	51.4°
O16	C48	C47	C49	90.0°	120.3°
O16	C48	C47	H58	90.0°	120.3°
O16	C48	C49	H58	90.0°	119.3°
O16	C48	C47	O17	90.0°	161.2°
C48	O16	C37	H42	90.0°	54.6°
O16	C48	C47	H57	90.0°	75.0°
O16	C48	C49	H59	90.0°	57.6°
O16	C48	C49	H60	90.0°	62.5°
O16	C48	C49	H61	90.0°	177.5°
C46	C47	O17	C50	90.0°	24.2°
C46	C47	C48	O17	90.0°	109.7°
C46	C47	C48	H57	90.0°	126.4°
C46	C47	C48	C49	90.0°	171.7°
C46	C47	O17	H57	90.0°	120.4°
C47	C46	C45	H54	90.0°	170.4°
C47	C46	C45	H55	90.0°	70.4°
C46	C47	C48	H58	90.0°	68.9°
C50	O17	C47	C48	90.0°	91.5°
C50	O17	C47	H57	90.0°	144.5°
O17	C50	H62	H63	90.0°	120.4°
C47	C48	C49	H58	90.0°	119.3°
C48	C47	O17	H57	90.0°	124.0°
C48	C47	C46	H56	90.0°	169.1°
C47	C48	C49	H59	90.0°	63.8°
C47	C48	C49	H60	90.0°	176.2°
C47	C48	C49	H61	90.0°	56.2°
C49	C48	C47	O17	90.0°	78.5°
C49	C48	C47	H57	90.0°	45.3°
C48	C49	H59	H60	90.0°	120.0°
C48	C49	H59	H61	90.0°	120.0°
C48	C49	H60	H61	90.0°	120.0°
O17	C47	C46	H56	90.0°	78.1°
O17	C47	C48	H58	90.0°	40.8°
C47	O17	C50	H62	90.0°	121.5°
C47	O17	C50	H63	90.0°	118.1°
H3	C13	H4	H5	90.0°	120.0°
H6	C14	H7	H8	90.0°	120.1°
H10	C17	C18	H12	90.0°	101.8°
H10	C17	C18	H13	90.0°	138.5°
H12	C18	C19	H14	90.0°	110.7°
H12	C18	C19	H15	90.0°	129.3°
H13	C18	C19	H14	90.0°	8.3°
H13	C18	C19	H15	90.0°	111.7°
H14	C19	C20	H16	90.0°	153.4°
H15	C19	C20	H16	90.0°	87.1°
H16	C20	C21	H17	90.0°	171.7°
H16	C20	C31	H29	90.0°	67.2°
H17	C21	C22	H18	90.0°	53.2°
H17	C21	O09	H68	90.0°	62.0°
H18	C22	C23	H19	90.0°	110.1°
H18	C22	C32	H30	90.0°	177.8°
H18	C22	C32	H31	90.0°	62.1°
H18	C22	C32	H32	90.0°	57.8°
H19	C23	C24	H20	90.0°	168.0°
H19	C23	O19	H71	90.0°	56.4°
H20	C24	C25	H21	90.0°	66.5°
H20	C24	C33	H33	90.0°	176.3°
H20	C24	C33	H34	90.0°	56.3°
H20	C24	C33	H35	90.0°	63.7°
H21	C25	C26	H22	90.0°	98.0°
H22	C26	C27	H23	90.0°	111.7°
H22	C26	C34	H36	90.0°	56.3°
H22	C26	C34	H37	90.0°	63.7°
H22	C26	C34	H38	90.0°	176.3°
H23	C27	C28	H24	90.0°	150.3°
H24	C28	C29	H25	90.0°	178.8°
H26	C30	H27	H28	90.0°	120.1°
H29	C31	C38	H43	90.0°	60.0°
H29	C31	C38	H44	90.0°	59.9°
H29	C31	C38	H45	90.0°	180.0°
H30	C32	H31	H32	90.0°	120.0°
H33	C33	H34	H35	90.0°	120.1°
H36	C34	H37	H38	90.0°	120.0°
H39	C36	H40	H41	90.0°	119.9°
H42	C37	C45	H54	90.0°	57.9°
H42	C37	C45	H55	90.0°	177.1°
H43	C38	H44	H45	90.0°	120.0°
H46	C41	H47	H48	90.0°	120.0°
H49	C42	H50	H51	90.0°	120.0°
H54	C45	C46	H56	90.0°	67.0°
H55	C45	C46	H56	90.0°	52.2°
H56	C46	C47	H57	90.0°	42.4°
H57	C47	C48	H58	90.0°	164.7°
H58	C48	C49	H59	90.0°	176.9°
H58	C48	C49	H60	90.0°	56.9°
H58	C48	C49	H61	90.0°	63.2°
H59	C49	H60	H61	90.0°	119.9°

Release date:	2018-07-25
Definition date:	2018-03-16
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB